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Computational and Mathematical Methods in Medicine
Volume 2016, Article ID 2787382, 5 pages
Research Article

MD Study of Solution Concentrations on Ion Distribution in a Nanopore-Based Device Inspired from Red Blood Cells

College of Engineering, Nanjing Agricultural University, Nanjing 210031, China

Received 1 May 2016; Accepted 8 June 2016

Academic Editor: Fangbao Tian

Copyright © 2016 Yanyan Ge et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


A molecular dynamics model of a nanopore-based device, which is similar to the nanopores in a cell membrane, was used to determine the influence of solution concentration on radial ion distribution, screening effects, and the radial potential profile in the nanopore. Results from these simulations indicate that as the solution concentration increases, the density peaks for both the counterion and coion near the charged wall increase at different speeds as screening effects appeared. Consequently, the potential near the charged wall of the nanopore changed from negative to positive during the simulation. The detailed understanding of ion distribution in nanopores is important for controlling the ion permeability and improving the cell transfection and also the design and application of nanofluidic devices.